8,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydro-4bH-phenanthrene-3,4-diol
| Internal ID | 6663d0d9-a052-4b30-8beb-f6cac2322b4d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 8,8-dimethyl-2-propan-2-yl-5,6,7,8a,9,10-hexahydro-4bH-phenanthrene-3,4-diol |
| SMILES (Canonical) | CC(C)C1=C(C(=C2C3CCCC(C3CCC2=C1)(C)C)O)O |
| SMILES (Isomeric) | CC(C)C1=C(C(=C2C3CCCC(C3CCC2=C1)(C)C)O)O |
| InChI | InChI=1S/C19H28O2/c1-11(2)14-10-12-7-8-15-13(6-5-9-19(15,3)4)16(12)18(21)17(14)20/h10-11,13,15,20-21H,5-9H2,1-4H3 |
| InChI Key | JVRVYDCPTHHIGR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O2 |
| Molecular Weight | 288.40 g/mol |
| Exact Mass | 288.208930132 g/mol |
| Topological Polar Surface Area (TPSA) | 40.50 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.17% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.15% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.05% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.37% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.30% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.61% | 90.71% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 90.92% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.68% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.22% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.23% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.94% | 93.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.56% | 100.00% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 86.85% | 99.18% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.02% | 91.79% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.99% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.40% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.30% | 93.04% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.34% | 95.34% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.03% | 91.03% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.83% | 85.11% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.67% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.26% | 93.40% |
| CHEMBL233 | P35372 | Mu opioid receptor | 81.20% | 97.93% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.95% | 96.21% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.22% | 93.03% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Rosmarinus officinalis |
| PubChem | 162820590 |
| LOTUS | LTS0083217 |
| wikiData | Q105135925 |